SCHEMBL335136

SCHEMBL335136

CC(C)(C)OC(=O)C(N)C1(C(=O)O)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
APLNR P35414 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6803133 0.91
SCHEMBL5641549 0.74
SCHEMBL28949298 0.73 NOS1 (0.31) NOS1NOS3NOS2
SCHEMBL9366367 0.73
SCHEMBL5134579 0.73 DPP4 (0.33) NOS1NOS3NOS2
SCHEMBL5644797 0.73
SCHEMBL1076766 0.71 USP2 (0.39) NOS1NOS3NOS2
SCHEMBL3195355 0.71 GRM1 (0.48)
SCHEMBL1110989 0.71 GRM1 (0.48)
SCHEMBL179715 0.71 GRM1 (0.48)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110734456-A compounds, preparation method and medical application thereof 南京谷睿生物科技有限公司 2020-01-31 CN disclosed
EP-2379548-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-8952162-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2015-02-10 US disclosed
CN-102317287-B Triazolopyridine compounds as phosphodiesterase inhibitors for the treatment of skin diseases LEO PHARMA A/S (DK) 2014-10-08 CN disclosed
CN-102316871-B [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS INC 2014-06-04 CN disclosed
US-8431695-B2 Pyrrolo[2,1-f][1,2,4]triazin-4-ylamines IGF-1R kinase inhibitors for the treatment of cancer and other hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-30 US disclosed
EP-1945222-B1 PYRROLO[2,1-F] [1,2,4]-TRIAZIN-4-YLAMINES AS IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer Pharma AG (DE) 2012-12-26 EP disclosed
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120028974-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2012-02-02 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
CN-102316871-A [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS INC 2012-01-11 CN disclosed
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases BAYER HEALTHCARE AG (DE) 2011-12-01 US disclosed
EP-2379548-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2011-10-26 EP disclosed
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 WO disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 NOS1 1164/4885NOS3 1271/4885NOS2 1316/4885
US-20110294776-A1 Pyrrolo[2,1-F] [1,2,4] Triazin-4-Ylamines IGF-1R Kinase Inhibitors for the Treatment of Cancer and Other Hyperproliferative Diseases IGF1R, FGFR1, IGFBP1 NOS1 1538/4885NOS3 2341/4885NOS2 1712/4885
US-20120028974-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES PDE4A, PDE4B, PDE5A NOS1 96/4885NOS3 167/4885NOS2 123/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 NOS1 464/4885NOS3 833/4885NOS2 687/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.